2-aminoethyl carbonate;copper(1+)

C3H6CuNO3 — CID 174481265

IUPAC2-aminoethyl carbonate;copper(1+)
SMILESNCCOC(=O)[O-].[Cu+]
InChIInChI=1S/C3H7NO3.Cu/c4-1-2-7-3(5)6;/h1-2,4H2,(H,5,6);/q;+1/p-1
InChIKeyXSWTXYHSOVCOJR-UHFFFAOYSA-M
MW167.63 g/mol
LogP-1.70
Rot. Bonds2

About 2-aminoethyl carbonate;copper(1+)

2-aminoethyl carbonate;copper(1+) (PubChem CID 174481265) has the molecular formula C3H6CuNO3 and a molecular weight of 167.63 g/mol. Its IUPAC name is 2-aminoethyl carbonate;copper(1+).

Molecular Properties

Compound Name2-aminoethyl carbonate;copper(1+)
PubChem CID174481265
Molecular FormulaC3H6CuNO3
Molecular Weight167.63 g/mol
Exact Mass166.96
IUPAC Name2-aminoethyl carbonate;copper(1+)
SMILESNCCOC(=O)[O-].[Cu+]
InChIInChI=1S/C3H7NO3.Cu/c4-1-2-7-3(5)6;/h1-2,4H2,(H,5,6);/q;+1/p-1
InChIKeyXSWTXYHSOVCOJR-UHFFFAOYSA-M
XLogP-1.70
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.63
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-aminohexyl carbonate
CID 59921398
dilithium;4-carboxylatooxybutyl carbonate
CID 101151816
zinc;ethane-1,2-diamine;carbonate
CID 88673860
magnesium propyl carbonate
CID 22154995
lithium 2-methoxyethyl carbonate
CID 139846001
calcium propyl carbonate
CID 158672692
ethane-1,2-diamine;oxalate;platinum(2+)
CID 3038580
bis(ethane-1,2-diamine);oxalate;platinum(2+)
CID 175317539
bis(2-aminoethyl) butanedioate
CID 12073124
silver 4-hydroxybutyl carbonate
CID 121333429
ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
CID 159221534
copper;ethane-1,2-diamine;diacetate
CID 160578350

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl carbonate;copper(1+)?
The IUPAC name of 2-aminoethyl carbonate;copper(1+) (CID 174481265) is 2-aminoethyl carbonate;copper(1+).
What is the SMILES notation for 2-aminoethyl carbonate;copper(1+)?
The canonical SMILES for 2-aminoethyl carbonate;copper(1+) is NCCOC(=O)[O-].[Cu+].
What is the InChIKey of 2-aminoethyl carbonate;copper(1+)?
The InChIKey is XSWTXYHSOVCOJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO3.Cu/c4-1-2-7-3(5)6;/h1-2,4H2,(H,5,6);/q;+1/p-1.
What are the key properties of 2-aminoethyl carbonate;copper(1+)?
2-aminoethyl carbonate;copper(1+) has a molecular weight of 167.63 g/mol, XLogP of -1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl carbonate;copper(1+) is sourced from PubChem (CID 174481265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).